1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione

C26H38N2O3 — CID 22992818

About 1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione

1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione (PubChem CID 22992818) has the molecular formula C26H38N2O3 and a molecular weight of 426.60 g/mol. Its IUPAC name is 1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

• Compound Name: 1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione
• PubChem CID: 22992818
• Molecular Formula: C26H38N2O3
• Molecular Weight: 426.60 g/mol
• Exact Mass: 426.29
• IUPAC Name: 1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione
• SMILES: CCC1(C)CC(N2C(=O)C(C)=C(C)C2=O)C(C)C(C)(CC)N1OC(C)c1ccccc1
• InChI: InChI=1S/C26H38N2O3/c1-9-25(7)16-22(27-23(29)17(3)18(4)24(27)30)19(5)26(8,10-2)28(25)31-20(6)21-14-12-11-13-15-21/h11-15,19-20,22H,9-10,16H2,1-8H3
• InChIKey: FPIHNRBHCLZNFD-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.60
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione?

The IUPAC name of 1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione (CID 22992818) is 1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione.

What is the SMILES notation for 1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione?

The canonical SMILES for 1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione is CCC1(C)CC(N2C(=O)C(C)=C(C)C2=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.

What is the InChIKey of 1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione?

The InChIKey is FPIHNRBHCLZNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O3/c1-9-25(7)16-22(27-23(29)17(3)18(4)24(27)30)19(5)26(8,10-2)28(25)31-20(6)21-14-12-11-13-15-21/h11-15,19-20,22H,9-10,16H2,1-8H3.

What are the key properties of 1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione?

1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 426.60 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 22992818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).